REMARK  Name = BDB013690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.518   1.226   1.717  0.00  0.00    -0.223 N 
ATOM      2  C   LIG    1        0.475   0.435   2.858  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1        0.538   0.870   4.006  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        0.358  -1.016   2.643  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.284  -1.514   1.349  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.226  -2.900   1.145  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.214  -3.772   2.237  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.268  -3.268   3.535  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.288  -0.540   0.225  0.00  0.00    +0.147 A 
ATOM     10  C   LIG    1        0.344  -1.891   3.740  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        0.416   0.740   0.437  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        0.142  -1.016  -1.068  0.00  0.00    -0.323 N 
ATOM     13  H   LIG    1       -0.498  -1.806  -1.146  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -0.121  -0.109  -2.193  0.00  0.00    +0.083 C 
ATOM     15  C   LIG    1        0.378  -0.782  -3.471  0.00  0.00    +0.029 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -1.639   0.214  -2.244  0.00  0.00    +0.105 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.477  -1.015  -2.212  0.00  0.00    -0.307 NA
ATOM     18  C   LIG    1       -3.521  -0.898  -1.190  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.094  -1.262  -3.518  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   1  20
ATOM     20  C   LIG    1        0.682   2.668   1.845  0.00  0.00    +0.174 C 
BRANCH  20  23
ATOM     21  C   LIG    1        4.198   4.080   0.870  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1        2.741   3.752   0.877  0.00  0.00    -0.033 C 
ATOM     23  C   LIG    1        2.146   3.008   1.823  0.00  0.00    -0.008 C 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 6